N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide

C27H33FN4O — CID 129105409

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide
SMILESN#Cc1cc(N(CCC2CCN(Cc3ccccc3)CC2)C(=O)C2CCNCC2)ccc1F
InChIInChI=1S/C27H33FN4O/c28-26-7-6-25(18-24(26)19-29)32(27(33)23-8-13-30-14-9-23)17-12-21-10-15-31(16-11-21)20-22-4-2-1-3-5-22/h1-7,18,21,23,30H,8-17,20H2
InChIKeyBDARJCPBJLQVLF-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.33
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 129105409) has the molecular formula C27H33FN4O and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide
PubChem CID129105409
Molecular FormulaC27H33FN4O
Molecular Weight448.59 g/mol
Exact Mass448.26
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide
SMILESN#Cc1cc(N(CCC2CCN(Cc3ccccc3)CC2)C(=O)C2CCNCC2)ccc1F
InChIInChI=1S/C27H33FN4O/c28-26-7-6-25(18-24(26)19-29)32(27(33)23-8-13-30-14-9-23)17-12-21-10-15-31(16-11-21)20-22-4-2-1-3-5-22/h1-7,18,21,23,30H,8-17,20H2
InChIKeyBDARJCPBJLQVLF-UHFFFAOYSA-N
XLogP4.33
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 129105203
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 129105436
N-[2-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]-N-[3-cyano-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 129105191
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 107882866
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-cyano-4-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 140942758
methyl 1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylate
CID 103758264
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide (CID 129105409) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide is N#Cc1cc(N(CCC2CCN(Cc3ccccc3)CC2)C(=O)C2CCNCC2)ccc1F.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is BDARJCPBJLQVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O/c28-26-7-6-25(18-24(26)19-29)32(27(33)23-8-13-30-14-9-23)17-12-21-10-15-31(16-11-21)20-22-4-2-1-3-5-22/h1-7,18,21,23,30H,8-17,20H2.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 129105409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).